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Related entries of code: 4ixh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3khjRCSB PDB    PDBbind361aa, >3KHJ_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ixh
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInosine-5'-monophosphate dehydrogenase
Ligand NameQ21
EC.Number E.C.1.1.1.205
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)IC50=6.1nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 4028-4043
Ligand Properties
Formula C25H19N3O3
Molecular Weight 409.437
Exact Mass 409.143
No. of atoms 50
No. of bonds 54
Polar Surface Area 77.25
LOGP Value 4.88      (Computed with XLOGP3)
5.52      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q8T6T2  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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